4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid

Base Information

• Chemical Name: 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
• CAS No.: 5233-90-9
• Molecular Formula: C52H62 N2 O14
• Molecular Weight: 281.3044
• DSSTox Substance ID: DTXSID30385458
• Mol file: 5233-90-9.mol

Synonyms:CBMicro_014885;5233-90-9;4-[[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid;Oprea1_235971;DTXSID30385458;SMSF0005106;CB13746;BIM-0014769.P001;SR-01000200024;SR-01000200024-1

Chemical Property of 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid

Chemical Property:

• Vapor Pressure: 7.76E-16mmHg at 25°C
• Boiling Point: 612.1°Cat760mmHg
• Flash Point: 324°C
• Density: 1.286g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 281.12632271
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)O